N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine

C15H22ClNO2 — CID 106929383

IUPACN-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1c(Cl)cccc1OCOCC1CC1
InChIInChI=1S/C15H22ClNO2/c1-11(2)17-8-13-14(16)4-3-5-15(13)19-10-18-9-12-6-7-12/h3-5,11-12,17H,6-10H2,1-2H3
InChIKeyQFDIUVRDYMOXDS-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.60
Rot. Bonds8

About N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine

N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine (PubChem CID 106929383) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine
PubChem CID106929383
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1c(Cl)cccc1OCOCC1CC1
InChIInChI=1S/C15H22ClNO2/c1-11(2)17-8-13-14(16)4-3-5-15(13)19-10-18-9-12-6-7-12/h3-5,11-12,17H,6-10H2,1-2H3
InChIKeyQFDIUVRDYMOXDS-UHFFFAOYSA-N
XLogP3.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine
CID 113276725
N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106929381
N-[[2-chloro-6-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 114319708
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 114319605
1-[[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 114319761
N-[(2-but-3-enoxy-6-chlorophenyl)methyl]propan-2-amine
CID 113276717
N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine
CID 106929162
N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282977
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[[3-chloro-2-(cyclopropylmethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 106929415
1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
CID 113277136
N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
CID 114319725

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine (CID 106929383) is N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1c(Cl)cccc1OCOCC1CC1.
What is the InChIKey of N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is QFDIUVRDYMOXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(2)17-8-13-14(16)4-3-5-15(13)19-10-18-9-12-6-7-12/h3-5,11-12,17H,6-10H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine?
N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 283.80 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 106929383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).