N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine

C14H22N2O3 — CID 62200224

IUPACN-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C14H22N2O3/c1-4-5-6-11(2)15-10-12-9-13(16(17)18)7-8-14(12)19-3/h7-9,11,15H,4-6,10H2,1-3H3
InChIKeyBLAKLHKSBHXXAP-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.27
Rot. Bonds8

About N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine

N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine (PubChem CID 62200224) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine
PubChem CID62200224
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C14H22N2O3/c1-4-5-6-11(2)15-10-12-9-13(16(17)18)7-8-14(12)19-3/h7-9,11,15H,4-6,10H2,1-3H3
InChIKeyBLAKLHKSBHXXAP-UHFFFAOYSA-N
XLogP3.27
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(2-methoxy-5-nitrophenyl)methyl]-6-methylheptan-2-amine
CID 60677362
N-[(2-methoxy-5-nitrophenyl)methyl]pentan-3-amine
CID 43082638
N-hexan-2-yl-2-methoxy-5-nitroaniline
CID 43785353
N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
CID 62199273
2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide
CID 60695601
(2R)-2-[(2-methoxy-5-nitrophenyl)methylamino]propanoic acid
CID 83194735
2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide
CID 43329475
2-[(2-methoxy-5-nitrophenyl)methylamino]-3-methylbutanoic acid
CID 43468781
N-heptan-2-yl-2-methoxy-5-nitroaniline
CID 43717718
N-[(2-methoxy-5-nitrophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61474040
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine
CID 62198160

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine?
The IUPAC name of N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine (CID 62200224) is N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine?
The canonical SMILES for N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine is CCCCC(C)NCc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine?
The InChIKey is BLAKLHKSBHXXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-5-6-11(2)15-10-12-9-13(16(17)18)7-8-14(12)19-3/h7-9,11,15H,4-6,10H2,1-3H3.
What are the key properties of N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine?
N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine has a molecular weight of 266.34 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine is sourced from PubChem (CID 62200224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).