2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine

C14H20ClNO2 — CID 117427905

IUPAC2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine
SMILESCOc1cc(C(C)(C)N)c(Cl)cc1OCC1CC1
InChIInChI=1S/C14H20ClNO2/c1-14(2,16)10-6-12(17-3)13(7-11(10)15)18-8-9-4-5-9/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyZYTCNLZRFFTUFV-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.33
Rot. Bonds5

About 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine

2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine (PubChem CID 117427905) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine
PubChem CID117427905
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine
SMILESCOc1cc(C(C)(C)N)c(Cl)cc1OCC1CC1
InChIInChI=1S/C14H20ClNO2/c1-14(2,16)10-6-12(17-3)13(7-11(10)15)18-8-9-4-5-9/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyZYTCNLZRFFTUFV-UHFFFAOYSA-N
XLogP3.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine
CID 117392715
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine
CID 117343498
3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol
CID 117429960
2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 15102791
4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine
CID 117475333
1-chloro-5-(cyclopropylmethoxy)-2-(1-isocyanatocyclobutyl)-4-methoxybenzene
CID 117492693
1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine
CID 117495710
2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
CID 84798459
3-(cyclopropylmethoxy)-4,5-dimethoxyaniline
CID 89149885
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062164

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine?
The IUPAC name of 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine (CID 117427905) is 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine?
The canonical SMILES for 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine is COc1cc(C(C)(C)N)c(Cl)cc1OCC1CC1.
What is the InChIKey of 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine?
The InChIKey is ZYTCNLZRFFTUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-14(2,16)10-6-12(17-3)13(7-11(10)15)18-8-9-4-5-9/h6-7,9H,4-5,8,16H2,1-3H3.
What are the key properties of 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine?
2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine has a molecular weight of 269.77 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 117427905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).