[3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol

C16H25N3O3 — CID 133491614

IUPAC[3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol
SMILESCN(C)CC1(CNc2cc(CO)ccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C16H25N3O3/c1-18(2)12-16(7-3-4-8-16)11-17-14-9-13(10-20)5-6-15(14)19(21)22/h5-6,9,17,20H,3-4,7-8,10-12H2,1-2H3
InChIKeySMMPXQGUSDYWSV-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.62
Rot. Bonds7

About [3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol

[3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol (PubChem CID 133491614) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is [3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol.

Molecular Properties

Compound Name[3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol
PubChem CID133491614
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name[3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol
SMILESCN(C)CC1(CNc2cc(CO)ccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C16H25N3O3/c1-18(2)12-16(7-3-4-8-16)11-17-14-9-13(10-20)5-6-15(14)19(21)22/h5-6,9,17,20H,3-4,7-8,10-12H2,1-2H3
InChIKeySMMPXQGUSDYWSV-UHFFFAOYSA-N
XLogP2.62
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-[(1-methylcyclobutyl)methylamino]-4-nitrophenyl]methanol
CID 133438235
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline
CID 133491716
4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide
CID 133491719
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine
CID 133491630
[3-(cyclopropylmethylamino)-4-nitrophenyl]methanol
CID 122539176
[4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol
CID 122538724
[1-[(4-methoxy-2-nitroanilino)methyl]cyclopentyl]methanol
CID 115360765
1-[5-(hydroxymethyl)-2-nitroanilino]-3,3-dimethylbutan-2-ol
CID 133437767
[4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol
CID 107232360
1-[(5-bromo-2-nitroanilino)methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 133388933
[4-nitro-3-(oxan-4-ylmethylamino)phenyl]methanol
CID 134248317
3-[5-(hydroxymethyl)-2-nitroanilino]-N,2,2-trimethylpropanamide
CID 133438503

Frequently Asked Questions

What is the IUPAC name of [3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol?
The IUPAC name of [3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol (CID 133491614) is [3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol.
What is the SMILES notation for [3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol?
The canonical SMILES for [3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol is CN(C)CC1(CNc2cc(CO)ccc2[N+](=O)[O-])CCCC1.
What is the InChIKey of [3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol?
The InChIKey is SMMPXQGUSDYWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-18(2)12-16(7-3-4-8-16)11-17-14-9-13(10-20)5-6-15(14)19(21)22/h5-6,9,17,20H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of [3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol?
[3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol has a molecular weight of 307.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol is sourced from PubChem (CID 133491614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).